(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H20ClNO5S/c1-28(25,26)16-8-9-18(21)17(12-16)20(24)27-13-14-4-6-15(7-5-14)19(23)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3